SpectraBase Spectrum ID |
3B1eQ3O0usX |
Name |
2,3-Dihydro-5-isopropyl-1H-indene-2-carboxaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
188.120115134 u |
Formula |
C13H16O |
InChI |
InChI=1S/C13H16O/c1-9(2)11-3-4-12-5-10(8-14)6-13(12)7-11/h3-4,7-10H,5-6H2,1-2H3 |
InChIKey |
HXYCTCCDIDFPHN-UHFFFAOYSA-N |
Molecular Weight |
188.270 g/mol |
SMILES |
C1C(CC=2C=C(C=CC12)C(C)C)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874084 |